2-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C15H16N2O3S — CID 951596

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-7-9-12(10-8-11)21(19,20)17(2)14-6-4-3-5-13(14)15(16)18/h3-10H,1-2H3,(H2,16,18)
InChIKeyZJWRCJRNWSYVFL-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.92
Rot. Bonds4

About 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide

2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 951596) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID951596
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-7-9-12(10-8-11)21(19,20)17(2)14-6-4-3-5-13(14)15(16)18/h3-10H,1-2H3,(H2,16,18)
InChIKeyZJWRCJRNWSYVFL-UHFFFAOYSA-N
XLogP1.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 951596) is 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZJWRCJRNWSYVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-7-9-12(10-8-11)21(19,20)17(2)14-6-4-3-5-13(14)15(16)18/h3-10H,1-2H3,(H2,16,18).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 304.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 951596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).